BindingDB PrimarySearch

BDBM11292 1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)benzene]sulfonyl}-4-methylbenzene::Compound 1 analog 3::cmdc.202100576, 7a::med.21724, Compound 147

SMILES: Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=INAZPZCJNPPHGV-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 11292
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.0	25
National Defense Medical Center					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				J Med Chem 49: 5154-61 (2006) Article DOI: 10.1021/jm060207o BindingDB Entry DOI: 10.7270/Q2M906V0
National Defense Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021)
Experimental Drug Development Centre					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair				3D Structure (crystal)